SCHEMBL5854353

SCHEMBL5854353

COc1ccc(C2(SC)COc3cc(OC)ccc3C2CCCCCCCCCO)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTR1A P08908 2/20 0.36
MAPT P10636 3/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR7 P34969 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
ABCB1 P08183 2/20 0.31
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 2/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5858007 1.00 HTR2B (0.36) HTR2BSIGMAR1HTR1AMAPTCYP3A4
SCHEMBL5854314 0.94 L3MBTL1 (0.34) HTR2BSIGMAR1HTR1AMAPTCYP3A4
SCHEMBL7129811 0.90 HTR2B (0.36) HTR2BSIGMAR1HTR1AMAPTCYP3A4
SCHEMBL5857158 0.88 PPARG (0.32) HTR2BSIGMAR1TMEM97
SCHEMBL5854540 0.88 EDNRB (0.35) HTR2BSIGMAR1HTR1AMAPK1ALDH1A1
SCHEMBL5856294 0.87 HTR1A (0.35) HTR2BSIGMAR1HTR1AMAPTCYP3A4
SCHEMBL7123998 0.87 HTR2B (0.37) HTR2BSIGMAR1HTR1AMAPTCYP3A4
SCHEMBL5854838 0.85 HTR1A (0.33) HTR2BSIGMAR1HTR1AABCB1ALDH1A1
SCHEMBL5856744 0.84 HTR2B (0.41) HTR2BSIGMAR1HTR1AMAPTCYP3A4
SCHEMBL5853938 0.84 HTR1A (0.33) HTR2BSIGMAR1HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed
EP-0944613-B1 BENZOPYRAN DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2002-10-09 EP disclosed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP disclosed
US-6153768-A RECEPTOR BLOCKING ANTIESTROGENS HAVING REDUCED SIDE EFFECTS C & C RESEARCH LABORATORIES (KR) 2000-11-28 US disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 WO disclosed
EP-0944613-A1 NOVEL BENZOPYRAN DERIVATIVES C & C Research Laboratories (KR) 1999-09-29 EP disclosed
WO-1998025916-A1 NOVEL BENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1998-06-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives NR5A1, SHBG, ESR2 HTR2B 2643/4885SIGMAR1 223/4885HTR1A 1060/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.